Molecular Modeling and Rational Drug Design -

A Perspective

Antoni Laczkowsky*, Edgar F. Meyer+, Stanley M. Swanson+, and R. Kendra Worick+

*Department of Biophysics, Institute of Experimental Physics, University of Warsaw, Zwirki i Wigury 93, PL-02-089 Warszawa, Poland

+Biographics Laboratory, Department of Biochemistry and Biophysics, Texas A&M University, College Station, Texas 77843-2128 USA


Enormous progress had been made in the study of biological macromolecules, primarily due to two essential methods, X-ray crystallography and interactive computer graphics. The tools necessary to access and utilize these data are at our fingertips thanks to the world wide web and Internet. We here illustrate the use of the web by a beginning student and compare the results with experimentally determined structures of two human matrix metalloproteinases. We then discuss a facile graphics modelling program, PRONTO. Finally, we speculate on what science might be like when some of the current bottle-necks are removed.


"Molecular Modeling and Rational Drug Design - A Perspective" A.Laczkowsky, E. F. Meyer, S. M. Swanson, and R. K. Worick (1996); proceedings, 12th Iranian comngress of Physiology and Pharmacology, M. Mahmoudian, ed., (in the press.)


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